用络合催化剂的2,4-二氨基甲苯烷硫化反应动力学

研究了2,4-二氨基甲苯和二甲基二硫在三苯基磷卤化亚铜络合物催化剂上合成二甲硫基甲苯二胺(DMTDA)的反应动力学。2,4-二氨基甲苯烷硫化反应是由平行连串反应组成的复杂反应体系,当搅拌速度较高,催化剂粒径较小时,催化剂的内扩散和外扩散对反应的影响可以消除,2,4-二氨基甲苯炕硫化反应可以看成由平行连串反应组成的双分子反应组成,并由此建立了动力学模型,对2,4-二氨基甲苯和二甲基二硫而言,反应级数均为一级,并求出了反应的活化参数。     

2，4-二硝基甲苯加氢反应历程及操作条件对反应速率的影响

研究2,4-二硝基甲苯(2,4-DNT)在Ni/硅藻土催化剂上的加氢反应历程和操作条件对反应速率的影响.通过GC-MS分析,提出2,4-DNT加氢合成2,4-二氨基甲苯(2,4-TDA)的反应历程.用初速率分析法考察操作条件对反应速率的影响,分析结果表明:在最佳实验条件下,当搅拌速率达1 500 r/min时,反应进入本征区;反应速率随催化剂用量的增加而线性增加;反应速率随压力和温度的升高而加快;温度与催化剂用量是影响2,4-DNT加氢反应速率的关键因素.     

Ni负载量对负载型Ni/SiO2催化剂结构及性能的影响

采用等体积浸渍法制备了Ni/SiO2催化剂,研究了镍负载量对二硝基甲苯(DNT)加氢制备甲苯二胺(TDA)的催化性能的影响,并通过XRD,BET,H2-TPR,H2-TPD方法对催化剂微观结构进行了表征。结果表明,Ni/SiO2催化剂在二硝基甲苯加氢合成甲苯二胺的反应中表现出良好的活性和选择性。当Ni负载量(即Ni与SiO2的质量比m(Ni):m(SiO2))≤28%时,随着镍负载量的增加,Ni活性中心数逐渐增大,催化剂的活性逐渐升高;而当Ni负载量>28%时,Ni活性组分在载体表面发生团聚,Ni活性中心数减少,催化剂的活性和选择性下降。当镍的负载量为28%时,DNT转化率达到了93.68%,TDA选择性为97.73%。     

硒催化羰基化合成甲苯-2,4-一氨基甲酸甲酯

报道了一种绿色、简易的合成甲苯-2,4-二氨基甲酸甲酯的方法.以廉价易得的非金属硒作催化剂,CO作羰基化试剂,通过硒催化2,4-二氨基甲苯和甲醇在一氧化碳和氧气存在下经“一锅法”的氧化羰基化反应来直接合成目标产物甲基-2,4-二氨基甲酸甲酯.并提出了硒催化羰基化合成甲苯-2,4-二氨基甲酸甲酯的机理.     

新型N,N',O,O'-Salen Mn(Ⅲ)催化剂的制备及在烯烃环氧化反应中催化性能的研究

通过邻胺基苯酚与二醛或二酮反应制备了4种新型的N,N',O,O'-Salen配体,再利用配体与Mn(Ac)2·2H2O配位反应合成新型Salen-Mn催化剂C1,C2,C3,C4,用FT-IR,UV-Vis和配位滴定法等方法对催化剂进行了表征;利用高斯03软件(Hartree-Fock/3-21G)对各种配体的结构进行了优化;考察了4种催化剂在环氧化反应中的催化性能.从催化结果可以看出:新型催化剂的催化活性与结构有关,其中新型催化剂C1与传统催化剂C5结构相似,在环氧化反应中都具有良好的催化活性,而新型催化剂C2,C3,C4的催化活性相对弱很多.     

DMTDA在聚氨酯弹性体中的扩链性能研究

在聚氨酯弹性体加工成型中必须加入一种兼起扩链和交联作用的固化剂,一般使用的扩链剂是3,3’-二氯-4,4’-二氨基-二苯基甲烷(英文缩写为MO-CA),在本文的研究中,以自制的二甲硫基甲苯二氨(英文缩写为DMTDA)作为扩链固化剂,并考察了它的扩链性能,研究发现:对聚酯型聚氨酯弹性体而言,制备的DMTDA的扩链效果与国外同类产品ETHACURE300的扩链效果相当;而且在邵氏硬度方面,自制的DMTDA要优于ETHACURE300.结果表明:自制的DMTDA可以替代国外同类产品ETHACURE300在聚酯型聚氨酯弹性体中使用.     

新型N,N′,O,O′-Salen Mn(III)催化剂的制备及在烯烃环氧化反应中催化性能的研究

通过邻胺基苯酚与二醛或二酮反应制备了4种新型的N,N′,O,O′-Salen配体,再利用配体与Mn(Ac)2·2H2O配位反应合成新型Salen-Mn催化剂C1,C2,C3,C4,用FT-IR,UV-Vis和配位滴定法等方法对催化剂进行了表征;利用高斯03软件（Hartree-Fock/3-21G）对各种配体的结构进行了优化;考察了4种催化剂在环氧化反应中的催化性能.从催化结果可以看出：新型催化剂的催化活性与结构有关,其中新型催化剂C1与传统催化剂C5结构相似,在环氧化反应中都具有良好的催化活性,而新型催化剂C2,C3,C4的催化活性相对弱很多.     

2,5-二[[4-N,N-二(4-甲基苯基)氨基]苯基]-1,3,4-噁二唑的合成与应用

以对硝基苯甲酰氯为原料，与水合肼反应制备1，2-二(4-硝基苯甲酰基)肼，该化合物在三氯氧磷作用下脱水环合并用铁粉还原制备2，5-二(4-氨基苯基)-1，3，4-噁二唑，最后以氯化亚铜为催化剂、以邻菲罗啉为助催化剂，在甲苯中与对碘甲苯反应制备目标产物2，5-二[[4-N，N-二(4-甲基苯基)氨基]苯基]-1，3，4-噁二唑．用熔点测定、紫外光谱、红外光谱、核磁共振、质谱及元素分析等手段对每步反应产物进行了结构鉴定，并测定了目的产物的氧化电位和光电性能数据，结果表明该化合物具有良好的载流子传输性能．     

N-轴套索冠醚 Ⅱ.N-(2-对甲苯磺酰胺基乙基)单氮冠醚的合成法研究和质谱

研究了N-对甲苯磺酰基乙二胺与相应多甘醇二碘化物的N-烷基化环化反应和N-(2-对甲苯磺酰胺基乙基)二乙醇胺与相应多甘醇二对甲苯磺酸酯的O-烷基化环化反应,并进行了比较。表明,由前—反应可制得N-(2-对甲苯磺酰胺基乙基)单氮-12-冠-4和-15-冠-5,但未能获得更大环腔的N-(2-对甲苯磺酰胺基乙基)单氮-18-冠-6;由后—反应,均能以良好产率合成出上述3个冠醚.考查了这类新冠醚的质谱,讨论了主要碎片离子生成的途径及其相关的裂解规律。     

Yb(OTF)3催化2,4-二氨基甲苯与碳酸二甲酯甲氧羰基化合成2,4-甲苯二氨基甲酸甲酯

研究了Yb（OTF），催化剂对2，4-二氨基甲苯（TDA）与碳酸二甲酯甲氧羰基化反应合成2，4-甲苯二氨基甲酸甲酯（TDC）的催化活性，考察了反应温度和反应时间对Yb（OTF），催化活性的影响。在该催化剂的作用下，反应温度453K，反应时间5h时TDA转化率可达100％，TDC的产率达到23、6％，同时考察了Yb（OTF）3催化剂的寿命，经4次重复使用催化剂基本不失活。Ln（OTF）3（Ln=La，Nd，Yb）催化活性的比较表明催化剂Lewis酸性的强弱与TDC的产率成正比。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that